Cyclohexenylcyclohexanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1502-22-3

    Molecular formula
    C12H18O

    SMILES
    C1CCC(=CC1)C2CCCCC2=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 67.28%
    Woody 63.94%
    Floral 53.68%
    Jasmin 42.67%
    Fresh 41.55%
    Green 40.34%
    Herbal 36.55%
    Mint 35.14%
    Animal 33.58%
    Natural 33.46%

     

    Flavor
    Animal 28.67%
    Minty 24.99%
    Shrimp 22.26%
    Bitter 21.64%
    Herbal 21.54%
    Alkaline 21.54%
    Mint 21.47%
    Spice 21.23%
    Spicy 21.1%
    Lovage 20.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.08 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 111.88 ˚C est.

  • Synonyms

    • 2-(1-Cyclohexenyl)cyclohexanone
    • 1502-22-3
    • Cyclohexanone, 2-(1-cyclohexen-1-yl)-
    • 2-(1-Cyclohexen-1-yl)cyclohexanone
    • KLP9AR22U2
    • NSC-518776
    • DTXSID30870879
    • cyclohexenylcyclohexanone
    • RefChem:580793
    • DTXCID00818561
    • 216-120-3
    • [1,1'-Bi(cyclohexan)]-1'-en-2-one
    • CHCH
    • 2-Cyclohexenylcyclohexanone
    • MFCD00013796
    • 2-(cyclohexen-1-yl)cyclohexan-1-one
    • 2-(Cyclohex-1-enyl)cyclohexanone
    • 2-(1-cyclohexenyl) cyclohexanone
    • 2-(1-Cyclohexen-1-yl)cyclohexan-1-one
    • 1,1'-bi(cyclohexan)-1-en-2-one
    • Cyclohexanone, 2-(cyclohexenyl)-
    • 2-cyclohex-1-enylcyclohexan-1-one
    • 2-(cyclohex-1-en-1-yl)cyclohexan-1-one
    • UNII-KLP9AR22U2
    • 2-(cyclohexen-1-yl)cyclohexanone
    • EINECS 216-120-3
    • NSC 518776
    • AI3-28148
    • SCHEMBL130772
    • GVNVAWHJIKLAGL-UHFFFAOYSA-
    • BICYCLOHEXYL-1'-EN-2-ONE
    • 2-(1-cyclohexenyl)cyclohexan-1-one
    • NSC518776
    • SBB007681
    • STK500258
    • 1,1'-bi(cyclohexan)-1'-en-2-one
    • 2-(1-cyclohexenyl)-cyclohexan-1-one
    • AKOS008996651
    • AKOS025243295
    • 1-(2-OXOCYCLOHEXYL)CYCLOHEXENE
    • CS-W017304
    • FC10509
    • AS-75767
    • SY049926
    • [[1,1'-Bi(cyclohexan)]-1'-en]-2-one
    • DB-019363
    • C1160
    • NS00012156
    • ST50408049
    • EN300-36445
    • E76805
    • F341721
    • Q27282321
    • Z87002464
    • [1,1 inverted exclamation mark -Bi(cyclohexan)]-1 inverted exclamation mark -en-2-one
    • 2-(1-Cyclohexenyl)cyclohexanone, 85+%, cont. ca 10% 2-cyclohexylidene cyclohexanone
    • InChI=1/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
    • 1502-22-3

  • Applications

    Cyclohexenylcyclohexanone (CAS 1502-22-3) is primarily used as an organic synthesis intermediate. In fragrance and cosmetic contexts it may function as an odorant or fragrance ingredient, contributing to scent profiles in formulated products. It is also employed as a building block in polymer and specialty chemical syntheses, enabling the preparation of custom monomers and intermediates for coatings and inks. In industrial manufacturing it is evaluated as a precursor for larger molecules, with use governed by formulation requirements and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 547.9
    methanol 456.51
    isopropanol 579.14
    water 0.31
    ethyl acetate 587.64
    n-propanol 553.89
    acetone 914.81
    n-butanol 524.64
    acetonitrile 829.86
    DMF 1095.87
    toluene 682.08
    isobutanol 435.14
    1,4-dioxane 1237.09
    methyl acetate 589.18
    THF 1261.53
    2-butanone 743.46
    n-pentanol 283.89
    sec-butanol 405.0
    n-hexane 76.5
    ethylene glycol 82.54
    NMP 789.09
    cyclohexane 225.3
    DMSO 857.41
    n-butyl acetate 549.42
    n-octanol 243.57
    chloroform 3523.12
    n-propyl acetate 376.18
    acetic acid 463.6
    dichloromethane 2711.15
    cyclohexanone 1323.62
    propylene glycol 131.28
    isopropyl acetate 397.33
    DMAc 615.86
    2-ethoxyethanol 309.38
    isopentanol 439.17
    n-heptane 69.79
    ethyl formate 524.57
    1,2-dichloroethane 1438.98
    n-hexanol 417.94
    2-methoxyethanol 587.23
    isobutyl acetate 247.96
    tetrachloromethane 399.53
    n-pentyl acetate 357.66
    transcutol 1629.19
    n-heptanol 214.18
    ethylbenzene 284.01
    MIBK 377.09
    2-propoxyethanol 532.72
    tert-butanol 520.92
    MTBE 428.82
    2-butoxyethanol 359.38
    propionic acid 457.9
    o-xylene 331.54
    formic acid 88.16
    diethyl ether 561.45
    m-xylene 367.77
    p-xylene 315.42
    chlorobenzene 1002.26
    dimethyl carbonate 221.56
    n-octane 35.91
    formamide 175.25
    cyclopentanone 1284.85
    2-pentanone 626.55
    anisole 474.62
    cyclopentyl methyl ether 583.74
    gamma-butyrolactone 1263.64
    1-methoxy-2-propanol 512.39
    pyridine 1658.55
    3-pentanone 456.93
    furfural 1090.83
    n-dodecane 33.41
    diethylene glycol 332.34
    diisopropyl ether 170.82
    tert-amyl alcohol 340.73
    acetylacetone 621.37
    n-hexadecane 39.73
    acetophenone 437.38
    methyl propionate 455.55
    isopentyl acetate 462.16
    trichloroethylene 2854.91
    n-nonanol 204.57
    cyclohexanol 573.05
    benzyl alcohol 379.41
    2-ethylhexanol 247.14
    isooctanol 186.1
    dipropyl ether 300.08
    1,2-dichlorobenzene 739.7
    ethyl lactate 180.28
    propylene carbonate 778.9
    n-methylformamide 510.38
    2-pentanol 335.68
    n-pentane 85.61
    1-propoxy-2-propanol 425.85
    1-methoxy-2-propyl acetate 417.17
    2-(2-methoxypropoxy) propanol 338.95
    mesitylene 236.21
    ε-caprolactone 966.18
    p-cymene 176.34
    epichlorohydrin 1385.67
    1,1,1-trichloroethane 1275.66
    2-aminoethanol 193.49
    morpholine-4-carbaldehyde 838.34
    sulfolane 1140.58
    2,2,4-trimethylpentane 38.61
    2-methyltetrahydrofuran 895.81
    n-hexyl acetate 513.05
    isooctane 40.05
    2-(2-butoxyethoxy)ethanol 506.37
    sec-butyl acetate 251.47
    tert-butyl acetate 359.74
    decalin 82.42
    glycerin 180.47
    diglyme 884.15
    acrylic acid 398.64
    isopropyl myristate 205.47
    n-butyric acid 762.4
    acetyl acetate 395.52
    di(2-ethylhexyl) phthalate 181.5
    ethyl propionate 315.08
    nitromethane 822.91
    1,2-diethoxyethane 548.46
    benzonitrile 814.79
    trioctyl phosphate 133.01
    1-bromopropane 835.5
    gamma-valerolactone 1290.52
    n-decanol 148.2
    triethyl phosphate 163.36
    4-methyl-2-pentanol 199.89
    propionitrile 770.59
    vinylene carbonate 763.04
    1,1,2-trichlorotrifluoroethane 738.99
    DMS 349.17
    cumene 183.08
    2-octanol 160.72
    2-hexanone 393.31
    octyl acetate 252.4
    limonene 237.32
    1,2-dimethoxyethane 673.55
    ethyl orthosilicate 151.3
    tributyl phosphate 161.13
    diacetone alcohol 383.64
    N,N-dimethylaniline 280.61
    acrylonitrile 901.25
    aniline 684.68
    1,3-propanediol 345.43
    bromobenzene 1113.12
    dibromomethane 1910.94
    1,1,2,2-tetrachloroethane 2049.1
    2-methyl-cyclohexyl acetate 262.91
    tetrabutyl urea 213.9
    diisobutyl methanol 170.33
    2-phenylethanol 356.33
    styrene 407.92
    dioctyl adipate 271.6
    dimethyl sulfate 302.1
    ethyl butyrate 362.18
    methyl lactate 229.09
    butyl lactate 262.05
    diethyl carbonate 256.11
    propanediol butyl ether 344.57
    triethyl orthoformate 231.77
    p-tert-butyltoluene 159.87
    methyl 4-tert-butylbenzoate 370.88
    morpholine 1224.5
    tert-butylamine 366.75
    n-dodecanol 117.16
    dimethoxymethane 548.25
    ethylene carbonate 636.27
    cyrene 277.32
    2-ethoxyethyl acetate 423.85
    2-ethylhexyl acetate 339.67
    1,2,4-trichlorobenzene 805.07
    4-methylpyridine 1309.54
    dibutyl ether 323.59
    2,6-dimethyl-4-heptanol 170.33
    DEF 602.93
    dimethyl isosorbide 507.82
    tetrachloroethylene 1226.27
    eugenol 334.69
    triacetin 421.91
    span 80 320.31
    1,4-butanediol 122.37
    1,1-dichloroethane 1535.59
    2-methyl-1-pentanol 252.28
    methyl formate 418.06
    2-methyl-1-butanol 365.79
    n-decane 55.89
    butyronitrile 832.17
    3,7-dimethyl-1-octanol 230.95
    1-chlorooctane 233.02
    1-chlorotetradecane 89.28
    n-nonane 54.46
    undecane 41.93
    tert-butylcyclohexane 67.44
    cyclooctane 68.33
    cyclopentanol 580.69
    tetrahydropyran 1197.49
    tert-amyl methyl ether 264.0
    2,5,8-trioxanonane 544.35
    1-hexene 259.2
    2-isopropoxyethanol 241.86
    2,2,2-trifluoroethanol 160.68
    methyl butyrate 470.7

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction